1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone

C18H19N3OS — CID 17000352

IUPAC1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2cccs2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C18H19N3OS/c22-17(20-10-4-1-5-11-20)13-21-15-8-3-2-7-14(15)19-18(21)16-9-6-12-23-16/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyWKLIEOZVSQXXHK-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.78
Rot. Bonds3

About 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone

1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone (PubChem CID 17000352) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
PubChem CID17000352
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2cccs2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C18H19N3OS/c22-17(20-10-4-1-5-11-20)13-21-15-8-3-2-7-14(15)19-18(21)16-9-6-12-23-16/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeyWKLIEOZVSQXXHK-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone (CID 17000352) is 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone is O=C(Cn1c(-c2cccs2)nc2ccccc21)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone?
The InChIKey is WKLIEOZVSQXXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17(20-10-4-1-5-11-20)13-21-15-8-3-2-7-14(15)19-18(21)16-9-6-12-23-16/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone?
1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone has a molecular weight of 325.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 17000352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).